SCHEMBL12947374

SCHEMBL12947374

Nc1nc(Cl)c(CO)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 5/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TP53 P04637 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL966308 0.87 MAPT (0.51) MAPTGAALMNATSHRKMT2A
SCHEMBL963620 0.85 LMNA (0.52) MAPTGAALMNATSHRKMT2A
SCHEMBL968558 0.81 LMNA (0.56) MAPTGAALMNATSHRKMT2A
SCHEMBL963619 0.81 LMNA (0.53) MAPTGAALMNATSHRKMT2A
SCHEMBL10327053 0.80 MAPT (0.55) MAPTGAALMNATSHRKMT2A
SCHEMBL10327149 0.79 LMNA (0.53) MAPTGAALMNATSHRKMT2A
SCHEMBL964265 0.78 KMT2A (0.78) MAPTGAALMNATSHRKMT2A
SCHEMBL19420176 0.77 MAPT (0.70) MAPTGAALMNATSHRKMT2A
SCHEMBL966884 0.77 MAPT (0.54) MAPTGAALMNATSHRKMT2A
SCHEMBL966073 0.77 SMN1; SMN2 (0.46) MAPTGAALMNATSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885GAA 950/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885GAA 950/4885LMNA 3817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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